N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine

C12H22N2S — CID 79086941

IUPACN',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1cccs1
InChIInChI=1S/C12H22N2S/c1-4-14(5-2)9-8-11(13-3)12-7-6-10-15-12/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeyUOOARSGYPNLUTJ-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.74
Rot. Bonds7

About N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine

N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine (PubChem CID 79086941) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
PubChem CID79086941
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1cccs1
InChIInChI=1S/C12H22N2S/c1-4-14(5-2)9-8-11(13-3)12-7-6-10-15-12/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeyUOOARSGYPNLUTJ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79087157
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62643328
1-(2,6-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79087903
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
CID 43193468
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623245
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
N-methyl-2-propan-2-ylsulfanyl-1-thiophen-2-ylethanamine
CID 65131483
3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074207
3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
CID 103149216
N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine
CID 62473459
N',N'-diethyl-N-(2-thiophen-2-yloctadecyl)ethane-1,2-diamine
CID 70395290

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine (CID 79086941) is N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine is CCN(CC)CCC(NC)c1cccs1.
What is the InChIKey of N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine?
The InChIKey is UOOARSGYPNLUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-14(5-2)9-8-11(13-3)12-7-6-10-15-12/h6-7,10-11,13H,4-5,8-9H2,1-3H3.
What are the key properties of N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine?
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine is sourced from PubChem (CID 79086941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).